>compound Hinokitiol_Hinokitiol
#instrument UPLC Q-Tof Premier, Waters
>formula C10H12O2
#smiles CC(C)C(=C1)C=C(O)C(=O)C=C1
#RECORD LC-ESI-QTOF_train_data/PR100822.txt;LC-ESI-QTOF_train_data/PR100823.txt;LC-ESI-QTOF_train_data/PR100373.txt
>charge -1
>ionization [M-H]-
>parentmass 163.07593

>collision 5-60
119.0747 76.13
145.9212 156.1
162.927 321.7
163.0759 31.66

>collision 30
119.0682 4.781
145.9132 92.36
162.9191 8.99

>collision 5-60
69.0541 2.625
79.039 2.741
90.5275 3.402
91.0786 6.335
98.9888 2.104
99.5369 14.27
100.5336 6.43
111.0494 3.306
119.0815 2.916
147.0849 6.962
165.0915 1.762

